Geometry & MOs

Info

ID:	83349
PubChem CID:	49857479
Reduced:	NO4C20H25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	557.97819
ΔH_f, kcal/mol:	-161.12
Dipole, Da:	5.77
IP(EA), eV:	-8.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-2-hydroxy-4-methoxyphenyl)methyl-triphenylphosphanium;bromide

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CCC3=C2C4=CC(=C(C(=C4O3)C(=O)N)O)O)(C)C

DOS

IR

Vibrations